2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid

C13H19NO3S — CID 43469771

IUPAC2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(CC)s1)C(=O)O
InChIInChI=1S/C13H19NO3S/c1-3-5-6-10(13(16)17)14-12(15)11-8-7-9(4-2)18-11/h7-8,10H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZDFCEAPTXKAPIX-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.68
Rot. Bonds7

About 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid

2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid (PubChem CID 43469771) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
PubChem CID43469771
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(CC)s1)C(=O)O
InChIInChI=1S/C13H19NO3S/c1-3-5-6-10(13(16)17)14-12(15)11-8-7-9(4-2)18-11/h7-8,10H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZDFCEAPTXKAPIX-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
CID 107831637
(2S)-2-[(5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031784
2-[(5-ethylthiophene-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787407
2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 104543694
(2S)-2-(1-benzothiophene-2-carbonylamino)hexanoic acid
CID 107144524
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
2-[(5-methylsulfonylthiophene-2-carbonyl)amino]pentanoic acid
CID 122108330
N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
CID 65193940
(2S)-2-[(3-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031782
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351346

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid (CID 43469771) is 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1ccc(CC)s1)C(=O)O.
What is the InChIKey of 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid?
The InChIKey is ZDFCEAPTXKAPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-5-6-10(13(16)17)14-12(15)11-8-7-9(4-2)18-11/h7-8,10H,3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid?
2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).